1-methoxy-3-[methyl-[3-(methylamino)-3-phenylpropyl]amino]propan-2-ol

C15H26N2O2 — CID 62612299

IUPAC1-methoxy-3-[methyl-[3-(methylamino)-3-phenylpropyl]amino]propan-2-ol
SMILESCNC(CCN(C)CC(O)COC)c1ccccc1
InChIInChI=1S/C15H26N2O2/c1-16-15(13-7-5-4-6-8-13)9-10-17(2)11-14(18)12-19-3/h4-8,14-16,18H,9-12H2,1-3H3
InChIKeyXDHNTBHODKWPNU-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.28
Rot. Bonds9

About 1-methoxy-3-[methyl-[3-(methylamino)-3-phenylpropyl]amino]propan-2-ol

1-methoxy-3-[methyl-[3-(methylamino)-3-phenylpropyl]amino]propan-2-ol (PubChem CID 62612299) has the molecular formula C15H26N2O2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-methoxy-3-[methyl-[3-(methylamino)-3-phenylpropyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[methyl-[3-(methylamino)-3-phenylpropyl]amino]propan-2-ol
PubChem CID62612299
Molecular FormulaC15H26N2O2
Molecular Weight266.39 g/mol
Exact Mass266.20
IUPAC Name1-methoxy-3-[methyl-[3-(methylamino)-3-phenylpropyl]amino]propan-2-ol
SMILESCNC(CCN(C)CC(O)COC)c1ccccc1
InChIInChI=1S/C15H26N2O2/c1-16-15(13-7-5-4-6-8-13)9-10-17(2)11-14(18)12-19-3/h4-8,14-16,18H,9-12H2,1-3H3
InChIKeyXDHNTBHODKWPNU-UHFFFAOYSA-N
XLogP1.28
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(3-methoxypropyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine
CID 55140895
1-[3-benzhydryloxypropyl(methyl)amino]-3-methoxypropan-2-ol
CID 110194014
N'-ethyl-N'-(1-methoxypropan-2-yl)-N-methyl-1-phenylpropane-1,3-diamine
CID 62613937
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-phenylacetamide
CID 62016324
N'-[2-(dimethylamino)ethyl]-N,N'-dimethyl-1-phenylethane-1,2-diamine
CID 14545863
N'-(3-methoxypropyl)-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 63008472
N-methyl-N'-(2-methylpropyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62613776
N-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
CID 55094933
N,N'-dimethyl-N'-[(3-methylphenyl)methyl]-1-phenylpropane-1,3-diamine
CID 62613615
N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine
CID 62613768
1-[2-[2-(aminomethyl)phenoxy]ethyl-methylamino]-3-methoxypropan-2-ol
CID 54993616
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N,2-diphenylacetamide
CID 111543934

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[methyl-[3-(methylamino)-3-phenylpropyl]amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[methyl-[3-(methylamino)-3-phenylpropyl]amino]propan-2-ol (CID 62612299) is 1-methoxy-3-[methyl-[3-(methylamino)-3-phenylpropyl]amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[methyl-[3-(methylamino)-3-phenylpropyl]amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[methyl-[3-(methylamino)-3-phenylpropyl]amino]propan-2-ol is CNC(CCN(C)CC(O)COC)c1ccccc1.
What is the InChIKey of 1-methoxy-3-[methyl-[3-(methylamino)-3-phenylpropyl]amino]propan-2-ol?
The InChIKey is XDHNTBHODKWPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-16-15(13-7-5-4-6-8-13)9-10-17(2)11-14(18)12-19-3/h4-8,14-16,18H,9-12H2,1-3H3.
What are the key properties of 1-methoxy-3-[methyl-[3-(methylamino)-3-phenylpropyl]amino]propan-2-ol?
1-methoxy-3-[methyl-[3-(methylamino)-3-phenylpropyl]amino]propan-2-ol has a molecular weight of 266.39 g/mol, XLogP of 1.28, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[methyl-[3-(methylamino)-3-phenylpropyl]amino]propan-2-ol is sourced from PubChem (CID 62612299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).